(1-methylbenzimidazol-5-yl) N-(3-azanyl-3-azanylidene-propyl)-N-[4-(4-carbamimidoylphenyl)-1-phenyl-butan-2-yl]carbamate

Systemtic Name: (1-methylbenzimidazol-5-yl) N-(3-azanyl-3-azanylidene-propyl)-N-[4-(4-carbamimidoylphenyl)-1-phenyl-butan-2-yl]carbamate Openeye Name: (1-methylbenzimidazol-5-yl) N-(3-amino-3-imino-propyl)-N-[1-benzyl-3-(4-carbamimidoylphenyl)propyl]carbamate CAS Name: N-(3-amino-3-iminopropyl)-N-[4-(4-carbamimidoylphenyl)-1-phenylbutan-2-yl]carbamic acid (1-methyl-5-benzimidazolyl) ester IUPAC Name: (1-methylbenzimidazol-5-yl) N-(3-amino-3-iminopropyl)-N-[4-(4-carbamimidoylphenyl)-1-phenylbutan-2-yl]carbamate Traditional Name: N-[3-(4-amidinophenyl)-1-benzyl-propyl]-N-(3-amino-3-imino-propyl)carbamic acid (1-methylbenzimidazol-5-yl) ester Formula: C29H33N7O2 MolecularWeight: 511.61802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCC(=N)N)C(CCC3=CC=C(C=C3)C(=N)N)CC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CCC(=N)N)C(CCC3=CC=C(C=C3)C(=N)N)CC4=CC=CC=C4

InChI

InChI=1S/C29H33N7O2/c1-35-19-34-25-18-24(13-14-26(25)35)38-29(37)36(16-15-27(30)31)23(17-21-5-3-2-4-6-21)12-9-20-7-10-22(11-8-20)28(32)33/h2-8,10-11,13-14,18-19,23H,9,12,15-17H2,1H3,(H3,30,31)(H3,32,33)